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

C20H35N3 — CID 904194

IUPAC(1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CC[C@H]([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+/m0/s1
InChIKeyYUKCLPPRYNXRAF-VTYCOLDWSA-N
MW317.52 g/mol
LogP2.76
Rot. Bonds1

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

(1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (PubChem CID 904194) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is (1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.

Molecular Properties

Compound Name(1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
PubChem CID904194
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name(1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane
SMILESC1CC[C@H]([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+/m0/s1
InChIKeyYUKCLPPRYNXRAF-VTYCOLDWSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The IUPAC name of (1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane (CID 904194) is (1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane.
What is the SMILES notation for (1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The canonical SMILES for (1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is C1CC[C@H]([C@]23C[C@H](C[C@@H]4CCCN[C@H]42)[C@H]2CCCCN2C3)NC1.
What is the InChIKey of (1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
The InChIKey is YUKCLPPRYNXRAF-VTYCOLDWSA-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+/m0/s1.
What are the key properties of (1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane?
(1R,2R,7S,9S,10R)-1-[(2R)-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 (1R,2R,7S,9S,10R)-1-[(2R)-piperidin-2-yl]-3,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane is sourced from PubChem (CID 904194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).