N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine

C17H27N3 — CID 104973831

IUPACN-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1C1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3/c1-18-14-17-8-5-11-20(17)16-9-12-19(13-10-16)15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-14H2,1H3
InChIKeyTVNVUAZGCUYNEY-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.34
Rot. Bonds4

About N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine

N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine (PubChem CID 104973831) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine
PubChem CID104973831
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine
SMILESCNCC1CCCN1C1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H27N3/c1-18-14-17-8-5-11-20(17)16-9-12-19(13-10-16)15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-14H2,1H3
InChIKeyTVNVUAZGCUYNEY-UHFFFAOYSA-N
XLogP2.34
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 104973734
N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
N-methyl-1-(1-spiro[4.5]decan-8-ylpyrrolidin-2-yl)methanamine
CID 114818954
1-[1-(4-ethylcycloheptyl)pyrrolidin-2-yl]-N-methylmethanamine
CID 115316266
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
1-(1-phenylpiperidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106820718
1-(1-benzylsulfonylpyrrolidin-2-yl)-N-methylmethanamine;hydrochloride
CID 119991099
N-methyl-1-[1-(4-methyl-1-phenylimidazol-2-yl)pyrrolidin-2-yl]methanamine
CID 106553535
N-methyl-1-(1-piperidin-3-ylpyrrolidin-2-yl)methanamine;hydrochloride
CID 131086453
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylpropan-2-ol
CID 113285351
N-methyl-1-[1-(2-phenylprop-2-enyl)pyrrolidin-2-yl]methanamine
CID 115328538
N-methyl-1-[1-(1-propan-2-ylpyrrolidin-3-yl)piperidin-2-yl]methanamine
CID 63249288

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine (CID 104973831) is N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine is CNCC1CCCN1C1CCN(c2ccccc2)CC1.
What is the InChIKey of N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine?
The InChIKey is TVNVUAZGCUYNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-18-14-17-8-5-11-20(17)16-9-12-19(13-10-16)15-6-3-2-4-7-15/h2-4,6-7,16-18H,5,8-14H2,1H3.
What are the key properties of N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine?
N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 104973831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).