N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline

C14H22N2 — CID 57253639

IUPACN-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
SMILESCN(C[C@@H]1CCCCN1C)c1ccccc1
InChIInChI=1S/C14H22N2/c1-15-11-7-6-10-14(15)12-16(2)13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3/t14-/m0/s1
InChIKeyRBUGIMBSZVPOSC-AWEZNQCLSA-N
MW218.34 g/mol
LogP2.61
Rot. Bonds3

About N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline

N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline (PubChem CID 57253639) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
PubChem CID57253639
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline
SMILESCN(C[C@@H]1CCCCN1C)c1ccccc1
InChIInChI=1S/C14H22N2/c1-15-11-7-6-10-14(15)12-16(2)13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3/t14-/m0/s1
InChIKeyRBUGIMBSZVPOSC-AWEZNQCLSA-N
XLogP2.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(trifluoromethyl)aniline
CID 175854724
N-methyl-N-[[(2S)-1-methylazetidin-2-yl]methyl]pyridin-3-amine
CID 10487961
(1S)-1-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]ethanol
CID 79318960
3-[4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]phenyl]prop-2-enoic acid
CID 79319739
N'-hydroxy-4-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzenecarboximidamide
CID 79314161
5-bromo-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-3-amine
CID 104531843
N-methyl-N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 105431089
2-[[methyl-[(1-methylpiperidin-2-yl)methyl]amino]methyl]benzoic acid
CID 77081369
4-methoxy-N-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]aniline
CID 12923050
2-[(2R)-1-tert-butylpyrrolidin-2-yl]-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 166503867
2-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824295
3-benzhydryl-1-methyl-1-[[(2R)-1-methylpiperidin-2-yl]methyl]urea
CID 126432631

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline?
The IUPAC name of N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline (CID 57253639) is N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline.
What is the SMILES notation for N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline?
The canonical SMILES for N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline is CN(C[C@@H]1CCCCN1C)c1ccccc1.
What is the InChIKey of N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline?
The InChIKey is RBUGIMBSZVPOSC-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2/c1-15-11-7-6-10-14(15)12-16(2)13-8-4-3-5-9-13/h3-5,8-9,14H,6-7,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline?
N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline has a molecular weight of 218.34 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]aniline is sourced from PubChem (CID 57253639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).