(1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

C20H35N3 — CID 52983252

IUPAC(1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CCC([C@@]23C[C@@H](C[C@H]4CCCN[C@H]42)[C@H]2CCCCN2C3)NC1
InChIInChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16-,17-,18?,19-,20+/m1/s1
InChIKeyYUKCLPPRYNXRAF-CCYWDIDXSA-N
MW317.52 g/mol
LogP2.76
Rot. Bonds1

About (1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane

(1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (PubChem CID 52983252) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is (1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound Name(1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
PubChem CID52983252
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name(1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CCC([C@@]23C[C@@H](C[C@H]4CCCN[C@H]42)[C@H]2CCCCN2C3)NC1
InChIInChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16-,17-,18?,19-,20+/m1/s1
InChIKeyYUKCLPPRYNXRAF-CCYWDIDXSA-N
XLogP2.76
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-1-[(2S)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 5320310
(1S,2S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadec-7-ene
CID 162907017
(1R,2R,13S,15S,16R,23R)-7,9,21-triazahexacyclo[11.9.1.11,15.02,7.09,23.016,21]tetracosane
CID 14137729
(1S,2R,7S,9R,10S)-6,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 163133323
(1S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 131705291
(1R,2R,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
CID 6101950
9-pyrrolidin-1-yl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine
CID 19890892
(1S,2R,9S,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;hydrochloride
CID 169440912
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678711
bis((1S,2R,9S,10S)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane);iodocopper
CID 24805328
3-(2-methylpiperidin-3-yl)-3-azabicyclo[4.1.0]heptane
CID 164651866
7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;iron(4+);bis(methanidyl(trimethyl)silane)
CID 11963882

Frequently Asked Questions

What is the IUPAC name of (1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The IUPAC name of (1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (CID 52983252) is (1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for (1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The canonical SMILES for (1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is C1CCC([C@@]23C[C@@H](C[C@H]4CCCN[C@H]42)[C@H]2CCCCN2C3)NC1.
What is the InChIKey of (1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The InChIKey is YUKCLPPRYNXRAF-CCYWDIDXSA-N. The full InChI is InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16-,17-,18?,19-,20+/m1/s1.
What are the key properties of (1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
(1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane has a molecular weight of 317.52 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,7R,9R,10R)-1-piperidin-2-yl-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is sourced from PubChem (CID 52983252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).