N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine

C17H27N3 — CID 104973734

IUPACN-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(C2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H27N3/c1-18-13-15-7-10-20(14-15)17-8-11-19(12-9-17)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14H2,1H3
InChIKeyPQTLVRRRZHNZTF-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.20
Rot. Bonds4

About N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine

N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine (PubChem CID 104973734) 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-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
PubChem CID104973734
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
SMILESCNCC1CCN(C2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C17H27N3/c1-18-13-15-7-10-20(14-15)17-8-11-19(12-9-17)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14H2,1H3
InChIKeyPQTLVRRRZHNZTF-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[(3R)-1-phenylpyrrolidin-3-yl]methanamine
CID 42258344
N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-2-yl]methanamine
CID 104973831
2-[1-(1-phenylpiperidin-4-yl)azetidin-3-yl]acetic acid
CID 106821074
1-[1-(9H-fluoren-9-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63263215
4-(azetidin-1-yl)-1-phenylpiperidine
CID 174605037
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 119541842
N-methyl-1-(1-naphthalen-2-ylpyrrolidin-3-yl)methanamine
CID 62513770
1-[1-(2-benzylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62514049
[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 45184102
1-methyl-3-[(1-phenylpyrrolidin-3-yl)methyl]urea
CID 20827758
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-(1-phenylpiperidin-4-yl)piperazine
CID 2737157

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine (CID 104973734) is N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine is CNCC1CCN(C2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is PQTLVRRRZHNZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-18-13-15-7-10-20(14-15)17-8-11-19(12-9-17)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14H2,1H3.
What are the key properties of N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine?
N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 273.42 g/mol, XLogP of 2.20, 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-3-yl]methanamine is sourced from PubChem (CID 104973734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).